N-methyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide

C16H14N4O3S2 — CID 8582324

About N-methyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide

N-methyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide (PubChem CID 8582324) has the molecular formula C16H14N4O3S2 and a molecular weight of 374.45 g/mol. Its IUPAC name is N-methyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide.

Molecular Properties

• Compound Name: N-methyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
• PubChem CID: 8582324
• Molecular Formula: C16H14N4O3S2
• Molecular Weight: 374.45 g/mol
• Exact Mass: 374.05
• IUPAC Name: N-methyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
• SMILES: CNC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccs3)o2)c1
• InChI: InChI=1S/C16H14N4O3S2/c1-17-14(22)10-4-2-5-11(8-10)18-13(21)9-25-16-20-19-15(23-16)12-6-3-7-24-12/h2-8H,9H2,1H3,(H,17,22)(H,18,21)
• InChIKey: IGEFEKZXHFHIPR-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 97.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.45
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide?

The IUPAC name of N-methyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide (CID 8582324) is N-methyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide.

What is the SMILES notation for N-methyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide?

The canonical SMILES for N-methyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide is CNC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccs3)o2)c1.

What is the InChIKey of N-methyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide?

The InChIKey is IGEFEKZXHFHIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S2/c1-17-14(22)10-4-2-5-11(8-10)18-13(21)9-25-16-20-19-15(23-16)12-6-3-7-24-12/h2-8H,9H2,1H3,(H,17,22)(H,18,21).

What are the key properties of N-methyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide?

N-methyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide has a molecular weight of 374.45 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-3-[[2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 8582324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).